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EVODEX.1-P4562

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]12[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]1([H:36])[C:17]([H:37])([H:38])[C@@:18]1([H:39])[O:19][C@@:20]21[H:40])([H:41])([H:42])[H:43]>>[H]O[C@:20]1([H:40])[C@@:2]2([C:1]([H:41])([H:42])[H:43])[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]2([H:36])[C:17]([H:37])([H:38])[C@:18]1([O:19][H])[H:39]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E378 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6@@:6]1(-[H:21])-[#8:7]-[#6@:8]-1(-[#6:9])-[H:29]>>[#6:5]-[#6@:6](-[#6@@:8](-[#8:7]-[H])(-[#6:9])-[H:29])(-[#8]-[H])-[H:21]

EVODEX.1-C1411 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:19]1-[#6@@:18]-[#6@@:20]-1-[#6@:2]>>[H]-[#8]-[#6@:20](-[#6@@:2])-[#6@:18]-[#8:19]-[H]

EVODEX.1-N1793 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6@:2]1(-[#6:3])-[#6@:16]-[#6:17]-[#6@@:18]2(-[H:39])-[#8:19]-[#6@@:20]-1-2-[H:40]>>[H]-[#8]-[#6@:20]1(-[H:40])-[#6@@:2](-[#6:1])(-[#6:3])-[#6@:16]-[#6:17]-[#6@:18]-1(-[#8:19]-[H])-[H:39]

EVODEX.1-Em125 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]

EVODEX.1-Cm69 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]-[#8:7]>>([#8]-[#6:6].[#8:7]-[H])

EVODEX.1-Nm159 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]

Source Full Reactions

EVODEX.1-R5397

Full Reaction Rendering

[C:1]([C@:2]12[C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@@:15]3([H:35])[C@:16]1([H:36])[C:17]([H:37])([H:38])[C@@:18]1([H:39])[O:19][C@@:20]21[H:40])([H:41])([H:42])[H:43].[H][O:21][H:44]>>[H][O:19][C@:18]1([H:39])[C:17]([H:37])([H:38])[C@:16]2([H:36])[C@:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:22])([H:23])[C:4]([H:24])([H:25])[C@:5]3([H:26])[C:6]4:[C:7]([H:27]):[C:8]([H:28]):[C:9]([O:10][H:29]):[C:11]([H:30]):[C:12]:4[C:13]([H:31])([H:32])[C:14]([H:33])([H:34])[C@:15]32[H:35])[C@:20]1([O:21][H:44])[H:40]